CID 120226

1h-perfluorodecane

Structural Information

Molecular Formula
C10HF21
SMILES
C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H
InChIKey
DSNMEFYRPYNWJJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2334
Patents

519.9743 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.981576 168.9
[M+Na]+ 542.963518 174.7
[M-H]- 518.967024 176.2
[M+NH4]+ 538.008123 178.9
[M+K]+ 558.937458 184.7
[M+H-H2O]+ 502.971560 158.6
[M+HCOO]- 564.972501 187.0
[M+CH3COO]- 578.988151 241.9
[M+Na-2H]- 540.948966 170.3
[M]+ 519.97375142 166.5
[M]- 519.97484858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe